SCHEMBL20404836

SCHEMBL20404836

N=C(/N=C(\N)c1ccccc1)c1cc2ccccc2cc1-c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.33
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20407191 0.95 KDM4E (0.32) PDK2
SCHEMBL20405174 0.88 PDK2 (0.34) PDK2
SCHEMBL20404908 0.85 F2 (0.31) —
SCHEMBL20404840 0.85 PDK2 (0.34) PDK2
SCHEMBL20404973 0.85 — —
SCHEMBL20407020 0.84 — —
SCHEMBL20405039 0.83 MCL1 (0.32) PDK2
SCHEMBL23654656 0.83 — —
SCHEMBL20407116 0.83 PDK2 (0.31) PDK2
SCHEMBL20405391 0.82 PDK2 (0.36) PDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3351536-B1 ORGANIC LIGHT-EMITTING DEVICE LG CHEMICAL LTD (KR) 2021-07-21 — — EP disclosed
EP-3351537-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2018-07-25 — — EP disclosed
EP-3351536-A1 ORGANIC LIGHT-EMITTING DEVICE LG Chem, Ltd. (KR) 2018-07-25 — — EP disclosed
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